Mol:LBF13000BC02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 16 0 0 1 0 0 0 0 0999 V2000 | + | 17 16 0 0 1 0 0 0 0 0999 V2000 |
| − | -2.7307 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7307 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0596 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0596 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0596 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0596 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1485 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1485 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1485 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1485 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2347 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2347 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8222 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8222 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2347 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2347 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8222 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8222 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2347 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2347 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8222 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8222 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2347 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2347 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9254 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9254 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3182 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3182 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7307 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7307 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7307 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7307 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4932 1.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4932 1.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 5 1 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF13000BC02 | + | ID LBF13000BC02 |
| − | FORMULA C15H30O2 | + | FORMULA C15H30O2 |
| − | EXACTMASS 242.22458020399998 | + | EXACTMASS 242.22458020399998 |
| − | AVERAGEMASS 242.3975 | + | AVERAGEMASS 242.3975 |
| − | SMILES CC(C)CCCCCCCC(C)CCC(O)=O | + | SMILES CC(C)CCCCCCCC(C)CCC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
-2.7307 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0596 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1485 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1485 1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2347 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8222 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2347 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8222 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2347 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8222 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2347 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3182 1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7307 2.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7307 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4932 1.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
4 5 1 4 0 0 0
2 6 1 0 0 0 0
4 12 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
4 13 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
13 17 1 0 0 0 0
S SKP 5
ID LBF13000BC02
FORMULA C15H30O2
EXACTMASS 242.22458020399998
AVERAGEMASS 242.3975
SMILES CC(C)CCCCCCCC(C)CCC(O)=O
M END
